(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C19H17N3OS — CID 70751823

IUPAC(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CC(c2cccnc2)C1
InChIInChI=1S/C19H17N3OS/c23-19(22-11-16(12-22)15-7-4-8-20-10-15)17-13-24-18(21-17)9-14-5-2-1-3-6-14/h1-8,10,13,16H,9,11-12H2
InChIKeySSOAGLADKQKTFS-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.37
Rot. Bonds4

About (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 70751823) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID70751823
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CC(c2cccnc2)C1
InChIInChI=1S/C19H17N3OS/c23-19(22-11-16(12-22)15-7-4-8-20-10-15)17-13-24-18(21-17)9-14-5-2-1-3-6-14/h1-8,10,13,16H,9,11-12H2
InChIKeySSOAGLADKQKTFS-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 154860981
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 133114808
(2-benzyl-1,3-thiazol-4-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 55986034
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
(3aS,6aR)-2-(2-benzyl-1,3-thiazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683636
[(3S,3aS,6aR)-3-amino-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 154568103
2-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50967528
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 70751823) is (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is O=C(c1csc(Cc2ccccc2)n1)N1CC(c2cccnc2)C1.
What is the InChIKey of (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is SSOAGLADKQKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-19(22-11-16(12-22)15-7-4-8-20-10-15)17-13-24-18(21-17)9-14-5-2-1-3-6-14/h1-8,10,13,16H,9,11-12H2.
What are the key properties of (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 70751823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).